4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)

C38H34N2OPt — CID 153429033

About 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)

4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) (PubChem CID 153429033) has the molecular formula C38H34N2OPt and a molecular weight of 729.78 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
• PubChem CID: 153429033
• Molecular Formula: C38H34N2OPt
• Molecular Weight: 729.78 g/mol
• Exact Mass: 729.23
• IUPAC Name: 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ccccc34)c3ccccc3c2)c1.[Pt+2]
• InChI: InChI=1S/C38H34N2O.Pt/c1-37(2,3)29-15-17-39-33(23-29)27-19-25-11-7-9-13-31(25)35(21-27)41-36-22-28(20-26-12-8-10-14-32(26)36)34-24-30(16-18-40-34)38(4,5)6;/h7-20,23-24H,1-6H3;/q-2;+2
• InChIKey: JOKKVDYCGGJKTP-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.78
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?

The IUPAC name of 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) (CID 153429033) is 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ccccc34)c3ccccc3c2)c1.[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?

The InChIKey is JOKKVDYCGGJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O.Pt/c1-37(2,3)29-15-17-39-33(23-29)27-19-25-11-7-9-13-31(25)35(21-27)41-36-22-28(20-26-12-8-10-14-32(26)36)34-24-30(16-18-40-34)38(4,5)6;/h7-20,23-24H,1-6H3;/q-2;+2.

What are the key properties of 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)?

4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) has a molecular weight of 729.78 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153429033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).